• Formula : Bi2Pt
  • Space Group : Pa3 (205)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.683
    b = 6.683
    c = 6.683
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 160
  • Band gap = 0.0 eV
    Direct Gap = 0.009 eV
    Metallicity = 0.123
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die kristallstrukturen von Bi2Pt und Sn2Pt Locality: synthetic,
    Zeitschrift fur Metallkunde 35, 200 (1943)

Band structure with spin-orbit coupling